1,3-benzodioxol-5-ylmethyl-[(3-methoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxyphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxyphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: m-anisyl-piperonyl-(4-pyridylmethyl)ammonium Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O3/c1-25-20-4-2-3-18(11-20)14-24(13-17-7-9-23-10-8-17)15-19-5-6-21-22(12-19)27-16-26-21/h2-12H,13-16H2,1H3/p+1